N-(1H-imidazol-5-ylmethyl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]acetamide

C14H14F3N3O2 — CID 136563984

IUPACN-(1H-imidazol-5-ylmethyl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOC(C(=O)NCc1cnc[nH]1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H14F3N3O2/c1-22-12(13(21)19-7-9-6-18-8-20-9)10-4-2-3-5-11(10)14(15,16)17/h2-6,8,12H,7H2,1H3,(H,18,20)(H,19,21)
InChIKeyUZYKMTIPAWGPLP-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.43
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]acetamide

N-(1H-imidazol-5-ylmethyl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 136563984) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID136563984
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOC(C(=O)NCc1cnc[nH]1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H14F3N3O2/c1-22-12(13(21)19-7-9-6-18-8-20-9)10-4-2-3-5-11(10)14(15,16)17/h2-6,8,12H,7H2,1H3,(H,18,20)(H,19,21)
InChIKeyUZYKMTIPAWGPLP-UHFFFAOYSA-N
XLogP2.43
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-(pyrimidin-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 136564651
2-methoxy-N-(2-methylpyrimidin-5-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 138025671
3-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 167113922
(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
CID 146440123
(2R)-2-amino-N-(1H-imidazol-5-ylmethyl)-3-methylbutanamide
CID 79014032
(2S)-2-amino-N-(1H-imidazol-5-ylmethyl)-4-phenylbutanamide
CID 104984531
2-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-4,4-dimethylpentanamide
CID 107472326
3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 106112788
3-[2-(trifluoromethyl)phenyl]pentanedioic acid
CID 66618920
2-methoxy-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 138027459
methyl (2S)-2-(1H-imidazol-5-ylmethylamino)propanoate
CID 62763548
3-(1H-imidazol-5-ylmethylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821309

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]acetamide (CID 136563984) is N-(1H-imidazol-5-ylmethyl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]acetamide is COC(C(=O)NCc1cnc[nH]1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UZYKMTIPAWGPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-22-12(13(21)19-7-9-6-18-8-20-9)10-4-2-3-5-11(10)14(15,16)17/h2-6,8,12H,7H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]acetamide?
N-(1H-imidazol-5-ylmethyl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 313.28 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 136563984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).